methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate

C10H10ClF2NO4S — CID 103493543

IUPACmethyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cl)CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10ClF2NO4S/c1-18-10(15)7(11)5-14-19(16,17)6-2-3-8(12)9(13)4-6/h2-4,7,14H,5H2,1H3
InChIKeyGNONLQFEECDAHX-UHFFFAOYSA-N
MW313.71 g/mol
LogP1.02
Rot. Bonds5

About methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate

methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate (PubChem CID 103493543) has the molecular formula C10H10ClF2NO4S and a molecular weight of 313.71 g/mol. Its IUPAC name is methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
PubChem CID103493543
Molecular FormulaC10H10ClF2NO4S
Molecular Weight313.71 g/mol
Exact Mass313.00
IUPAC Namemethyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cl)CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10ClF2NO4S/c1-18-10(15)7(11)5-14-19(16,17)6-2-3-8(12)9(13)4-6/h2-4,7,14H,5H2,1H3
InChIKeyGNONLQFEECDAHX-UHFFFAOYSA-N
XLogP1.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 103493569
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
methyl 2-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404938
3-[[(3,4-difluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066946
5-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683500
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
methyl 2-bromo-3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 103493751
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate (CID 103493543) is methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate is COC(=O)C(Cl)CNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is GNONLQFEECDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO4S/c1-18-10(15)7(11)5-14-19(16,17)6-2-3-8(12)9(13)4-6/h2-4,7,14H,5H2,1H3.
What are the key properties of methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 313.71 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 103493543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).